N-Ethyl-o-toluenesulfonamide

C₉H₁₃NO₂SCAS 1077-56-1199.27 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₁₃NO₂S
Molar mass: 199.27 g/mol
Exact mass: 199.0667 Da
Density: 1.203 g/mL (at 17.7 °C)
Flash point: 93.3 °C
Water solubility: < 100 mg/L (17.8 °C)
logP: 1.29Crippen estimate
Polar surface area: 46.2 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

Hazards

Warning

H336 May cause drowsiness or dizziness15.5% of notifiers
H412 Harmful to aquatic life with long lasting effects36.2% of notifiers

Aggregated from 116 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P271, P273, P304+P340, P319, P403+P233, P405, P501

Identifiers

CAS number

1077-56-1

SMILES

CCNS(=O)(=O)c1ccccc1C

InChIKey

NATWUQFQFMZVMT-UHFFFAOYSA-N

InChI

InChI=1S/C9H13NO2S/c1-3-10-13(11,12)9-7-5-4-6-8(9)2/h4-7,10H,3H2,1-2H3

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Type any one amount. The others follow from the molar mass and density.

Names and synonyms

3 names

Benzenesulfonamide, N-ethyl-2-methyl-
o-Toluenesulfonamide, N-ethyl-
N-Ethyl-2-methylbenzenesulfonamide

Work with N-Ethyl-o-toluenesulfonamide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Methylbenzenesulfonyl chloride133-59-547 % similar 2-Methylbenzenesulfonamide88-19-747 % similar Methyl toluenesulfonate28804-47-944 % similar N-Ethyl-o-toluidine94-68-844 % similar 4-Amino-N-ethylbenzenesulfonamide1709-53-143 % similar 2-Toluenesulfonyl isocyanate32324-19-941 % similar p-Tolylsulfonyldiazomethane1538-98-340 % similar Toluenesulfonamide1333-07-939 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Ethyl 2-amino-4,5-dimethyl3-thenoate4815-24-1 tert-Butyl N-(thiophen-2-yl)carbamate56267-50-6 2-(Propane-2-sulfonyl)aniline76697-50-2 N-Ethyl-4-methylbenzenesulfonamide80-39-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook